CID 155973846

2-[3-(difluoromethyl)azetidin-1-yl]-2-methylpropanal

Structural Information

Molecular Formula
C8H13F2NO
SMILES
CC(C)(C=O)N1CC(C1)C(F)F
InChI
InChI=1S/C8H13F2NO/c1-8(2,5-12)11-3-6(4-11)7(9)10/h5-7H,3-4H2,1-2H3
InChIKey
MPCBTQQOODZAOF-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)azetidin-1-yl]-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.103806 137.7
[M+Na]+ 200.085748 143.9
[M-H]- 176.089254 137.3
[M+NH4]+ 195.130353 150.2
[M+K]+ 216.059688 145.8
[M+H-H2O]+ 160.093790 125.7
[M+HCOO]- 222.094731 153.7
[M+CH3COO]- 236.110381 186.0
[M+Na-2H]- 198.071196 140.9
[M]+ 177.09598142 143.5
[M]- 177.09707858 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.